1-[(Z)-7-nitro-6-oxidanyl-hept-6-enyl]-3-phenyl-thiourea

Systemtic Name: 1-[(Z)-7-nitro-6-oxidanyl-hept-6-enyl]-3-phenyl-thiourea Openeye Name: 1-[(Z)-6-hydroxy-7-nitro-hept-6-enyl]-3-phenyl-thiourea CAS Name: 1-[(Z)-6-hydroxy-7-nitrohept-6-enyl]-3-phenylthiourea IUPAC Name: 1-[(Z)-6-hydroxy-7-nitrohept-6-enyl]-3-phenylthiourea Traditional Name: 1-[(Z)-6-hydroxy-7-nitro-hept-6-enyl]-3-phenyl-thiourea Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NCCCCCC(=C[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NCCCCC/C(=C/[N+](=O)[O-])/O

InChI

InChI=1S/C14H19N3O3S/c18-13(11-17(19)20)9-5-2-6-10-15-14(21)16-12-7-3-1-4-8-12/h1,3-4,7-8,11,18H,2,5-6,9-10H2,(H2,15,16,21)/b13-11-